CID 2736090

104534-96-5

Structural Information

Molecular Formula
C9H8F6O4
SMILES
C=C(CC(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
InChI
InChI=1S/C9H8F6O4/c1-5(7(17)19-4-9(13,14)15)2-6(16)18-3-8(10,11)12/h1-4H2
InChIKey
IRXUFAGEXMCXHZ-UHFFFAOYSA-N
Compound name
bis(2,2,2-trifluoroethyl) 2-methylidenebutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

294.03268 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.039956 153.9
[M+Na]+ 317.021898 161.4
[M-H]- 293.025404 146.4
[M+NH4]+ 312.066503 168.9
[M+K]+ 332.995838 160.3
[M+H-H2O]+ 277.029940 144.5
[M+HCOO]- 339.030881 165.9
[M+CH3COO]- 353.046531 198.7
[M+Na-2H]- 315.007346 154.4
[M]+ 294.03213142 148.9
[M]- 294.03322858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe